Exploring adsorption and desorption characteristics of molecular hydrogen on neutral and charged Mg nanoclusters: A first principles study

标题
Exploring adsorption and desorption characteristics of molecular hydrogen on neutral and charged Mg nanoclusters: A first principles study
作者
关键词
Mg nanoclusters, Molecular hydrogen adsorption, Density functional theory (DFT), Energy decomposition analysis (EDA), Molecular dynamics
出版物
CHEMICAL PHYSICS
Volume 469-470, Issue -, Pages 123-131
出版商
Elsevier BV
发表日期
2016-02-20
DOI
10.1016/j.chemphys.2016.02.004

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